SCHEMBL2552196

SCHEMBL2552196

COc1cc(/C=C/CO)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
MMP9 P14780 1/20 0.46
DRD2 P14416 1/20 0.46
KMT2A Q03164 1/20 0.45
NFE2L2 Q16236 1/20 0.43
CYP1A1 P04798 3/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
APP P05067 1/20 0.42
MAPT P10636 1/20 0.42
TUBB1 Q9H4B7 7/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17184026 1.00 PTGS1 (0.51) PTGS1MMP9DRD2KMT2ANFE2L2
SCHEMBL31098830 0.95 PTGS1 (0.48) PTGS1MMP9DRD2KMT2ANFE2L2
SCHEMBL1552593 0.93 PTGS1 (0.43) PTGS1MMP9DRD2KMT2ANFE2L2
SCHEMBL1552595 0.93 PTGS1 (0.43) PTGS1MMP9DRD2KMT2ANFE2L2
SCHEMBL23777899 0.87 TUBB1 (0.43) PTGS1DRD2KMT2ANFE2L2CYP1A1
SCHEMBL17184004 0.87 TUBB1 (0.43) PTGS1DRD2KMT2ANFE2L2CYP1A1
SCHEMBL15757538 0.87 TUBB1 (0.43) PTGS1DRD2KMT2ANFE2L2CYP1A1
SCHEMBL17184011 0.84 DRD2 (0.47) DRD2KMT2ANFE2L2ALDH1A1HPGD
SCHEMBL17184012 0.84 DRD2 (0.47) DRD2KMT2ANFE2L2ALDH1A1HPGD
SCHEMBL15758065 0.83 DRD2 (0.43) PTGS1DRD2KMT2ANFE2L2CYP1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925755-B1 NEUROPROTECTIVE AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV WAYNE STATE (US) 2021-09-08 EP disclosed
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2020-12-29 US disclosed
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-03-14 US disclosed
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-02-07 US disclosed
US-10125127-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2018-11-13 US disclosed
US-20150299180-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2015-10-22 US disclosed
EP-2556062-A1 AMIDE DERIVATIVES OF CINNAMIC, FERULIC AND AVENALUMIC SERIES, PROCESS FOR PREPARING SAME AND COSMETIC COMPOSITIONS CONTAINING SAME Produits Chimiques Auxiliaires et de Synthese (FR) 2013-02-13 EP disclosed
WO-2011124844-A1 AMIDE DERIVATIVES OF CINNAMIC, FERULIC AND AVENALUMIC SERIES, PROCESS FOR PREPARING SAME AND COSMETIC COMPOSITIONS CONTAINING SAME PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2011-10-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150299180-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES RTN4, NR4A1, NR4A3 PTGS1 2325/4885MMP9 3372/4885DRD2 280/4885
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA PTGS1 918/4885MMP9 2709/4885DRD2 611/4885
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA PTGS1 918/4885MMP9 2709/4885DRD2 611/4885
US-10125127-B2 Neuroprotective agents for treatment of neurodegenerative diseases RTN4, NR4A1, NR4A3 PTGS1 2325/4885MMP9 3372/4885DRD2 280/4885
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases SMN1; SMN2, PARK7, SNCA PTGS1 918/4885MMP9 2709/4885DRD2 611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.